RInChI=1.00.1S/C20H11BrN2O2/c21-14-10-12(19-22-15-5-1-3-7-17(15)24-19)9-13(11-14)20-23-16-6-2-4-8-18(16)25-20/h1-11H!C26H23BN2O4/c1-25(2)26(3,4)33-27(32-25)18-14-16(23-28-19-9-5-7-11-21(19)30-23)13-17(15-18)24-29-20-10-6-8-12-22(20)31-24/h5-15H,1-4H3!CH2O3.2Na/c2-1(3)4;;/h(H2,2,3,4);;/q;2*+1/p-2!H2O/h1H2<>C40H22N4O4/c1-5-13-33-29(9-1)41-37(45-33)25-17-23(18-26(21-25)38-42-30-10-2-6-14-34(30)46-38)24-19-27(39-43-31-11-3-7-15-35(31)47-39)22-28(20-24)40-44-32-12-4-8-16-36(32)48-40/h1-22H<>C4H8O/c1-2-4-5-3-1/h1-4H2/d+
RAuxInfo=1.00.1/0/N:1,2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17,18,19,20,21,22,23,24,25/E:(1,2)(3,4)(5,6)(7,8)(10,11)(12,13)(15,16)(17,18)(19,20)(22,23)(24,25)/rA:25CCCCCCCCCCCCCCCCCCCCBrNNOO/rB:;d1;d2;s1;s2;s3;s4;;;;d9s10;s9d11;d10s11;d5;d6;d7s15;d8s16;s12;s13;s14;s15d19;s16d20;s17s19;s18s20;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;!0/N:1,2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17,18,19,20,21,22,23,24,25,26,27,28,29,30,31,32,33/E:(1,2,3,4)(5,6)(7,8)(9,10)(11,12)(14,15)(16,17)(19,20)(21,22)(23,24)(25,26)(28,29)(30,31)(32,33)/rA:33CCCCCCCCCCCCCCCCCCCCCCCCCCBNNOOOO/rB:;;;;;d5;d6;s5;s6;s7;s8;;;;d13s14;s13d15;d14s15;d9;d10;d11s19;d12s20;s16;s17;s1s2;s3s4s25;s18;s19d23;s20d24;s21s23;s22s24;s25s27;s26s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;!1/N:1,2,3,4;5;6/E:(2,3,4);;/rA:6COO-O-Na+Na+/rB:d1;s1;s1;;;/rC:;;;;;;!0/N:1/rA:1O/rB:/rC:;<>0/N:1,2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17,18,19,20,21,22,23,24,25,26,27,28,29,30,31,32,33,34,35,36,37,38,39,40,41,42,43,44,45,46,47,48/E:(1,2,3,4)(5,6,7,8)(9,10,11,12)(13,14,15,16)(17,18,19,20)(21,22)(23,24)(25,26,27,28)(29,30,31,32)(33,34,35,36)(37,38,39,40)(41,42,43,44)(45,46,47,48)/rA:48CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCNNNNOOOO/rB:;;;d1;d2;d3;d4;s1;s2;s3;s4;s5;s6;s7;s8;;;;;;;d17s18;d19s20s23;s17d21;d18s21;s19d22;d20s22;d9;d10;d11;d12;d13s29;d14s30;d15s31;d16s32;s25;s26;s27;s28;s29d37;s30d38;s31d39;s32d40;s33s37;s34s38;s35s39;s36s40;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;<>0/N:1,2,3,4,5/E:(1,2)(3,4)/rA:5CCCCO/rB:s1;s1;s2;s3s4;/rC:;;;;;
Long-RInChIKey=SA-FUHFF-SYSORQSARIUJBO-UHFFFAOYSA-N-JYJNLWMJGJHULD-UHFFFAOYSA-N-CDBYLPFSWZWCQE-UHFFFAOYSA-L-XLYOFNOQVPJJNP-UHFFFAOYSA-N--LCPQSAKLHBDCAB-UHFFFAOYSA-N--WYURNTSHIVDZCO-UHFFFAOYSA-N
Short-RInChIKey=SA-FUHFF-GCSCSFCSHD-LCPQSAKLHB-WYURNTSHIV-LUHFF-NUHFF-NUHFF-ZZZ
Web-RInChIKey=UPNGLYCKVFSSPZBEJ-LUHFFFADPSCTJSA